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CHEBI:15347 - acetone
| Formula | C3H6O |
| Net Charge | 0 |
| Average Mass | 58.080 |
| Monoisotopic Mass | 58.04186 |
| SMILES | CC(C)=O |
| InChI | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 |
| InChIKey | CSCPPACGZOOCGX-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Chemical Role: | polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). EC 3.5.1.4 (amidase) inhibitor An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetone (CHEBI:15347) has role EC 3.5.1.4 (amidase) inhibitor (CHEBI:77941) |
| acetone (CHEBI:15347) has role human metabolite (CHEBI:77746) |
| acetone (CHEBI:15347) has role polar aprotic solvent (CHEBI:48358) |
| acetone (CHEBI:15347) is a ketone body (CHEBI:73693) |
| acetone (CHEBI:15347) is a methyl ketone (CHEBI:51867) |
| acetone (CHEBI:15347) is a propanones (CHEBI:26292) |
| acetone (CHEBI:15347) is a volatile organic compound (CHEBI:134179) |
| Incoming Relation(s) |
| 1-hydroxy-3-methoxyacetone (CHEBI:37551) has functional parent acetone (CHEBI:15347) |
| aminoacetone (CHEBI:17906) has functional parent acetone (CHEBI:15347) |
| bromoacetone (CHEBI:51845) has functional parent acetone (CHEBI:15347) |
| chloroacetone (CHEBI:47220) has functional parent acetone (CHEBI:15347) |
| hydroxyacetone (CHEBI:27957) has functional parent acetone (CHEBI:15347) |
| 2-oxopropylidene group (CHEBI:48057) is substituent group from acetone (CHEBI:15347) |
| 2-oxopropylidyne group (CHEBI:48059) is substituent group from acetone (CHEBI:15347) |
| acetonyl group (CHEBI:48056) is substituent group from acetone (CHEBI:15347) |
| IUPAC Name |
|---|
| propan-2-one |
| Synonyms | Source |
|---|---|
| 2-Propanone | KEGG COMPOUND |
| Aceton | ChemIDplus |
| Acetone | KEGG COMPOUND |
| ACETONE | PDBeChem |
| acétone | ChEBI |
| Azeton | ChEBI |
| UniProt Name | Source |
|---|---|
| acetone | UniProt |
| Manual Xrefs | Databases |
|---|---|
| Acetone | Wikipedia |
| ACETONE | MetaCyc |
| ACN | PDBeChem |
| C00207 | KEGG COMPOUND |
| c0556 | UM-BBD |
| D02311 | KEGG DRUG |
| HMDB0001659 | HMDB |
| LMFA12000057 | LIPID MAPS |
| Citations |
|---|